From 5fd560b30ae5b2f51ef1fdaab8b1e2abddd5f43a Mon Sep 17 00:00:00 2001
From: yakomaxa <47655565+yakomaxa@users.noreply.github.com>
Date: Mon, 15 Aug 2022 15:38:38 +0900
Subject: [PATCH] Added experimental within to rasmol
---
src/mol-script/transpilers/rasmol/operators.ts | 10 ++++++++++
1 file changed, 10 insertions(+)
diff --git a/src/mol-script/transpilers/rasmol/operators.ts b/src/mol-script/transpilers/rasmol/operators.ts
index 0074a7625..8c228ccfb 100644
--- a/src/mol-script/transpilers/rasmol/operators.ts
+++ b/src/mol-script/transpilers/rasmol/operators.ts
@@ -41,5 +41,15 @@ export const operators: OperatorList = [
rule: h.infixOp(/OR|\||\|\|/i),
map: (op, s1, s2) => B.struct.combinator.merge([s1, s2])
}
+ {
+ '@desc': 'Selects atoms within a specified distance of a selection',
+ '@examples': ['within 5 of name FE'],
+ name: 'within',
+ type: h.prefix,
+ rule: h.prefixOp(/WITHIN\s+([-+]?[0-9]*\.?[0-9]+)\s+OF/i, 1).map((x: any) => parseFloat(x)),
+ map: (radius: number, selection: Expression) => {
+ return B.struct.modifier.includeSurroundings({ 0: selection, radius });
+ }
+ },
];
--
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